[Pw_forum] Questions about plotting

glevita at units.it glevita at units.it
Tue Dec 4 15:57:28 CET 2007

Dear Paolo and Tone, thank you very much for your suggestions.
I verified that by using a serial version of the code, the linear  
projection of the charge density is generated correctly. Good news for  
that matters, then.
The only problem is that now I tried to do the same for the ILDOS in a  
certain energy range, and the pp program stops with

  IOS = 36
      from davcio : error #        10
      i/o error in davcio
      stopping ...

My obvious guess is that it is not possible for a serial PP to read  
the numerous  temporary files generated by a parallel PW version.  
However, how is it possible that the charge density is actually well  
computed, and the ILDOS is not?
I now try searching the forum archive for some advices...

Quoting Paolo Giannozzi <giannozz at nest.sns.it>:

> On Nov 30, 2007, at 16:12 , glevita at units.it wrote:
>> In the INPUT_PP example it is reported that the output_format
>> selection is ignored when 1D plots are chosen. (moreover, the
>> output_format= 3 option is reported to be suited also to 1D Xcrysden).
>> In fact, I failed both when output_format was 0 and 3, and when iflag
>> was either 0 or 1. No plot files were generated, even if the first PP
>> output file was OK.
> there are way too many options in the postprocessing codes to
> keep track of all of them. If it works in the serial case, it is for
> sure a problem of parallel execution.
>> I used both a 3.2.2 version of Espresso and a 3.0 one.
> it is not unlikely that your problem may have been solved meanwhile.
> See http://www.democritos.it:8888/O-sesame/chngview?cn=5321
> and http://www.democritos.it:8888/O-sesame/chngview?cn=4894
> Paolo
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
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